Information card for entry 4349394

Structure parameters

• Formula: C138 H144 Dy8 N8 O48
• Calculated formula: C138 H136 Dy8 N8 O48
• SMILES: C[O]1c2cccc3c2[O]2[Dy]456781[O]1c9c(OC)cccc9C=[N]9[Dy]%10%11%12%13%141([O](c1c(OC)cccc1C=[N]%10C[C@H]9C)[Dy]19%10%15([O]%16c%17c(C=[N]%18[C@H](C[N](=C3)[Dy]3%192%16%18([O]=C(c2ccccc2)O%19)([O]4%129C(=[O]3)O%13)[O]5%15)C)cccc%17[O]1C)([O]6%14)[O]=C(c1ccccc1)O[Dy]12345([O](C)c6cccc9c6[O]1[Dy]16%12%13%14%15([N](=C9)C[C@H]([N]1=Cc1cccc9[O](C)[Dy]%16%17([O]6c19)([O]1c6c(C=[N]9C[C@@H]([N]%18=Cc%19cccc(OC)c%19[O]2[Dy]%19%2019%18([O]=C(c1ccccc1)O%20)([O]3%13%17C(=[O]%14)O%19)[O]5%16)C)cccc6OC)([O]=C(c1ccccc1)O7)(OC(c1ccccc1)=[O]8)[O]4%15)C)[O]=C(c1ccccc1)O%12)[O]=C(c1ccccc1)O%10)[O]=C(c1ccccc1)O%11.CO.CO.O.CO.CO.O
• Title of publication: Enhancement of Magnetocaloric Effect through Fixation of Carbon Dioxide: Molecular Assembly from Ln₄ to Ln₄ Cluster Pairs.
• Authors of publication: Wu, Jianfeng; Li, Xiao-Lei; Zhao, Lang; Guo, Mei; Tang, Jinkui
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 4104 - 4111
• a: 14.584 ± 0.0012 Å
• b: 18.3023 ± 0.0015 Å
• c: 26.224 ± 0.002 Å
• α: 90°
• β: 93.929 ± 0.002°
• γ: 90°
• Cell volume: 6983.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No